1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine

C10H17N3 — CID 125449054

IUPAC1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine
SMILESCn1ncc2c1CC(C)(C)CNC2
InChIInChI=1S/C10H17N3/c1-10(2)4-9-8(5-11-7-10)6-12-13(9)3/h6,11H,4-5,7H2,1-3H3
InChIKeyGJSDCRGCOQJFRV-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.09
Rot. Bonds

About 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine

1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine (PubChem CID 125449054) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine.

Molecular Properties

Compound Name1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine
PubChem CID125449054
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine
SMILESCn1ncc2c1CC(C)(C)CNC2
InChIInChI=1S/C10H17N3/c1-10(2)4-9-8(5-11-7-10)6-12-13(9)3/h6,11H,4-5,7H2,1-3H3
InChIKeyGJSDCRGCOQJFRV-UHFFFAOYSA-N
XLogP1.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine?
The IUPAC name of 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine (CID 125449054) is 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine.
What is the SMILES notation for 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine?
The canonical SMILES for 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine is Cn1ncc2c1CC(C)(C)CNC2.
What is the InChIKey of 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine?
The InChIKey is GJSDCRGCOQJFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2)4-9-8(5-11-7-10)6-12-13(9)3/h6,11H,4-5,7H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine?
1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine has a molecular weight of 179.27 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,5-c]azepine is sourced from PubChem (CID 125449054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).